000			03631nam a22001937a 4500
003			CUTN
005			20250521164410.0
008			250521b |||||||| |||| 00| 0 eng d
020			_a9781071631201
041			_aEnglish
082			_a541.28 _bZAH
100			_aZahradnik, Rudolf
245			_aElements of Quantum Chemistry /
260			_aBoston, MA: _bSpringer, _c1985.
300			_axvii, 253 pages : _billustrations ; _c24 cm.
505			_tFront Matter Pages 1-8 Introduction Rudolf Zahradník, Rudolf Polák Pages 9-10 A Brief Comment on the Development of the Theory of the Chemical Bond Rudolf Zahradník, Rudolf Polák Pages 11-12 The Time-Independent Schrödinger Equation Rudolf Zahradník, Rudolf Polák Pages 13-46 Mathematics and Logic of Quantum Mechanics Rudolf Zahradník, Rudolf Polák Pages 47-79 Basic Approximations in the Theory of the Chemical Bond Rudolf Zahradník, Rudolf Polák Pages 80-102 Symmetry in Quantum Chemistry Rudolf Zahradník, Rudolf Polák Pages 103-149 Atomic Orbitals (AO) and Molecular Orbitals (MO) Rudolf Zahradník, Rudolf Polák Pages 150-160 Many-Electron Atoms Rudolf Zahradník, Rudolf Polák Pages 161-169 Diatomic Molecules Rudolf Zahradník, Rudolf Polák Pages 170-189 Calculation Methods in the Theory of the Chemical Bond Rudolf Zahradník, Rudolf Polák Pages 190-262 Use of the Solution to the Schrödinger Equation Rudolf Zahradník, Rudolf Polák Pages 263-294 Examples of the Study of Polyatomic Molecules Rudolf Zahradník, Rudolf Polák Pages 295-311 Molecular Spectroscopy Rudolf Zahradník, Rudolf Polák Pages 312-376 Magnetic Properties of Molecules Rudolf Zahradník, Rudolf Polák Pages 377-382 Thermochemical Properties and Molecular Stability Rudolf Zahradník, Rudolf Polák Pages 383-390 Chemical Reactivity Rudolf Zahradník, Rudolf Polák Pages 391-437 Weak Interactions Rudolf Zahradník, Rudolf Polák Pages 438-449 Back Matter Pages 451-462
520			_aThe post-war generation of chemists learned to handle a blow pipe at the university as thoroughly as modern chemistry students learn to write computer programmes. Even after World War II the rule of three was considered to be sufficient mathematical knowledge for chemists and the short course of "higher mathematics" at technical universities was the test most feared by chemistry students. However, even then some en­ visaged the theoretical derivation of information on the properties of molecules from knowledge of the bonding of the component atoms. During the last quarter of this century, amazing changes have occurred in chemistry, some of them almost incredible. Dirac's famous clairvoyant statement* has been partially realized. Incorporation of quantum mechanics into chemistry encountered numerous difficulties. After all, the reserve of experimental chemists is not surprising. For decades the hydrogen and helium atoms and the hydrogen molecule belonged among the systems most frequently investigated by theoreti­ cians. Later these systems were supplemented by ethylene and benzene. The authors of this book can therefore recall with understanding the words of the late Professor Lukes: "Well, when they succeed in computing a molecule of some alkaloid by those methods of yours ... ". Unfortunately, the calculations on calycanin were not completed before his death. Now there is no need to convince even the members of the older generation of the usefulness of quantum chemistry for chemists. Even the most conservative were convinced after the introduction of the W ood­ ward-Hoffmann rules.
942			_2ddc _cBOOKS
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